CID 28897015

N-[(1r)-1-phenylethyl]glycine

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C[C@H](C1=CC=CC=C1)NCC(=O)O

InChI

InChI=1S/C10H13NO2/c1-8(11-7-10(12)13)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)/t8-/m1/s1

InChIKey

RFEBVEWGRABHPU-MRVPVSSYSA-N

Compound name

2-[[(1R)-1-phenylethyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 179.09464 Da
Monoisotopic Mass: -1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	180.101916	139.2
[M+Na]+	202.083858	144.5
[M-H]-	178.087364	141.2
[M+NH4]+	197.128463	157.9
[M+K]+	218.057798	142.8
[M+H-H2O]+	162.091900	133.1
[M+HCOO]-	224.092841	161.6
[M+CH3COO]-	238.108491	181.4
[M+Na-2H]-	200.069306	144.1
[M]+	179.09409142	137.7
[M]-	179.09518858	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe